Asymmetric total synthesis of polycyclic xanthenes and discovery of a WalK activator active against MRSA - Nature Communications Structurally diverse natural products are a promising source of antibiotics. Here, the authors report the collective asymmetric total synthesis of polycyclic xanthene myrtucommulone D and five related...

Interesting talk by Lei Wang at #ISCPDD. He talked about the application and synthetic optimization of natural products as #antibiotics against the most relevant #bacteria.

www.nature.com/articles/s41...
#ChemSky #ChemBio #DrugDiscovery

FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis - Nature Chemistry A naturally occurring stand-alone and intermolecular Diels–Alderase, MaDA, has been identified from Morus alba cell cultures. MaDA is a FAD-dependent enzyme, which catalyses the intermolecular [4+2] c...

Great talk by Xiaoguang Lei at #ISCPDD. He talked about the use photoaffinity probes based on biosynthetic intermediates to fish for the relevant enzymes to identify e.g. an intermolecular Diels-Alderase.
www.nature.com/articles/s41...
#ChemSky #ChemBio #ChemicalProteomics #ChemPro #ProteoProbes

π-PrimeNovo: an accurate and efficient non-autoregressive deep learning model for de novo peptide sequencing - Nature Communications Peptide sequencing is critical to the advancement of proteomics research. Here, the authors present π-PrimeNovo, a non-autoregressive deep learning model that achieves high accuracy and up to 89x fast...

Great talk by Cheng Chang at #ISCPDD. He talked about his group’s work on πPrimeNovo for de novo sequencing in mass spectrometry-based #proteomics. He also presented the πHub database of human proteomics data.
www.nature.com/articles/s41...
#MS #MassSpectrometry #DeNovoSequencing

Spacial Score─A Comprehensive Topological Indicator for Small-Molecule Complexity The fraction of sp3-hybridized carbons (Fsp3) and the fraction of stereogenic carbons (FCstereo) are two widely employed scores of molecular complexity with strong links to biologically relevant features. However, they do not comprehensively express molecular topology, and they often do not match the chemical intuition of complexity. We propose the spacial score (SPS) as an empirical scoring system that builds upon the principle underlying Fsp3 and FCstereo and expresses the spacial complexity of a compound in a uniform manner on a highly granular scale. The size-normalized SPS (nSPS) can differentiate distributions of natural products and synthetic compounds and is applicable in the analysis of biological activity data. Analysis of the ChEMBL database revealed general trends of increasing selectivity and potency with increasing nSPS. SPS can also be used advantageously in planning and analysis of synthesis programs for direct comparison of chemical transformations and intermediates in reaction sequences.

Interesting talk by Xiangbing Qi at #ISCPDD. He talked about the design of compound libraries for high-throughput screening and their biological applications. Interesting applications of Herbert Waldmann’s Spacial Score metric. doi.org/10.1021/acs....
#HTS #Screening #ChemSky #DrugDiscovery

Interesting talk by Yun He at #ISCPDD. He talked about his group’s work on small molecule-drug conjugates for targeting specific cells. Great insights into the use of siderophore conjugates to get molecules into Gram-negative #bacteria.
onlinelibrary.wiley.com/doi/10.1002/...
#Antibiotics #ChemSky

Visible‐Light‐Controlled Lysine‐Selective Crosslinking Decodes Protein Complexes and Dynamic Interactomes in Live Cells A visible-light-controlled lysine-selective crosslinking (VL-XL) strategy is introduced for exploring protein complexes and dynamic interactomes in live cells. By synergistically integrating the adva...

Insightful presentation by Minjia Tan at #ISCPDD. She talked about her group’s research into the use of the photoactivated ortho-nitrobenzyl alcohol (oNBA) reactive group and its application to studying protein complexes in live cells.
onlinelibrary.wiley.com/doi/10.1002/...
#ChemSky #ChemBio

Great talk by Clive Chung at #ISCPDD. He presented his work on #ChemcalProteomics to find cysteine-directed covalent inhibitors. Exciting insights into NAIA chemistry and into the application to specific proteins of interest.
www.nature.com/articles/s41...
#ChemSky #ChemBio #ChemPro #ProteoProbes

Great talk by Itaru Hamachi at #ISCPDD. He talked about his group’s research into PhoxID. In this method, endogenous proteins are labeled with a photocatalyst by ligand-directed chemistry and used for proximity labeling of their environment.
www.pnas.org/doi/10.1073/...
#ChemSky #ChemBio

Amazing lecture by Zhengqiu Li at #ISCPDD. He presented his group’s exciting research into the recruitment of new E3 ligases for targeted protein degradation using diverse new electrophiles including of NEDD4 via an azirine.
pubs.acs.org/doi/full/10....
#TPD #ChemSky #ChemBio #ChemicalProteomics

Geat talk by Yu Rao at #ISCPDD. He talked about his group’s work on PROTACs and the use of degradation-based protein profiling (DBPP) to characterize target engagement.
advanced.onlinelibrary.wiley.com/doi/10.1002/...
#TPD #ChemSky #ChemBio #DrugDiscovery #ChemicalProteomics #ChemPro #ProteoProbes

Discovery of d-Miniprotein Inhibitors of PD-1/PD-L1 Interaction via Mirror-Image Phage Display against Synthetic d-PD-1 As a member of the immune checkpoint, PD-1 is acknowledged as a key player in immune regulation and a hot target for cancer immunotherapy. The broad and flat binding interface of PD-1 to PD-L1 poses a...

Great talk by Xuechen Li at #ISCPDD. He talked about the use of #miniproteins in #DrugDiscovery. Exciting insights into the synthesis of large libraries and their screening by #PhageDisplay including the use of mirror image phage display.
pubs.acs.org/doi/10.1021/...
#ChemSky #ChemBio #Peptides

Insightful talk by Mingliang Ye at #ISCPDD. She talked about the use of #ChemicalProteomics for the study of target engagement in complex biological systems. Exciting insights into peptide-centric local stability assay (PELSA) and SICFA. doi.org/10.1038/s415...
#ChemSky #ChemBio #DrugDiscovery

Updates are coming in the coming days. Just follow the #ISCPDD and you should get it all. Sadly, it seems like there was no homepage and not sure, if I can share the program on socials.

Zhengqiu Li opens the 3rd International Symposium on Chemical Proteomics and Drug Discovery #ISCPDD in Guangzhou marking the start of two days of exciting reports on research in #ChemicalProteomics, #ChemBio, #Chemistry and #DrugDiscovery.
#ChemSky

It was a great pleasure to be at the 3rd International Symposium on Chemical Proteomics and Drug Discovery #ISCPDD in Guangzhou. A huge thank you to Zhengqiu Li for the invitation and amazing hospitality. We had an amazing program. I will post some updates here soon.
#ChemBio #ChemSky #DrugDiscovery